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CHEBI:192198 - PS(20:5(5Z,8Z,11Z,14Z,17Z)/24:0)

Default Structure
ChEBI IDCHEBI:192198
ChEBI NamePS(20:5(5Z,8Z,11Z,14Z,17Z)/24:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H88NO10P
Net Charge0
Average Mass894.225
Monoisotopic Mass893.61458
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C50H88NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(53)61-46(44-59-62(56,57)60-45-47(51)50(54)55)43-58-48(52)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,27,29,33,35,46-47H,3-5,7,9-11,13,15-17,19,21-26,28,30-32,34,36-45,51H2,1-2H3,(H,54,55)(H,56,57)/b8-6-,14-12-,20-18-,29-27-,35-33-/t46-,47+/m1/s1
InChIKeyPZTAFSJLEGORGQ-HRFOFTETSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
PS(20:5(5Z,8Z,11Z,14Z,17Z)/24:0) (CHEBI:192198) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[hydroxy-[(2R)-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-2-tetracosanoyloxypropoxy]phosphoryl]oxypropanoic acid
Manual XrefsDatabases
74876148ChemSpider
HMDB0112705HMDB